SCHEMBL3789837

SCHEMBL3789837

CCNc1ccc(Cl)c(NCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABL1 P00519 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3780756 0.83 ALDH1A1 (0.46) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL1799567 0.83 CYP3A4 (0.53) ALDH1A1RECQLPOLBKDM4EHPGD
Hydrochloric Acid SCHEMBL3399071 0.81 CYP3A4 (0.52) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL3398998 0.81 MEN1 (0.50) POLBKMT2AMEN1TSHRIDO1
Hydrochloric Acid SCHEMBL6518247 0.79 MEN1 (0.48) POLBKMT2AMEN1TSHRIDO1
SCHEMBL12895633 0.79 PDK1 (0.41) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL1800169 0.79 ALDH1A1 (0.46) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL21635500 0.78 CYP3A4 (0.63) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL21861846 0.78 ALDH1A1 (0.43) ALDH1A1RECQLPOLBKDM4EHPGD
SCHEMBL21861853 0.78 RECQL (0.36) ALDH1A1RECQLPOLBKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885RECQL 1576/4885POLB 2303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.